(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone

C21H38N2O — CID 130230324

IUPAC(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
SMILESC=C(C)N1CCN(C(=O)C2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O/c1-16(2)21(20(5,6)7)10-8-18(9-11-21)19(24)23-14-12-22(13-15-23)17(3)4/h16,18H,3,8-15H2,1-2,4-7H3
InChIKeyJFCPRGVSGUMFLE-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.54
Rot. Bonds3

About (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone

(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone (PubChem CID 130230324) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
PubChem CID130230324
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
SMILESC=C(C)N1CCN(C(=O)C2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O/c1-16(2)21(20(5,6)7)10-8-18(9-11-21)19(24)23-14-12-22(13-15-23)17(3)4/h16,18H,3,8-15H2,1-2,4-7H3
InChIKeyJFCPRGVSGUMFLE-UHFFFAOYSA-N
XLogP4.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 130233531
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 122675582
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110741284

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone (CID 130230324) is (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone is C=C(C)N1CCN(C(=O)C2CCC(C(C)C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone?
The InChIKey is JFCPRGVSGUMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-16(2)21(20(5,6)7)10-8-18(9-11-21)19(24)23-14-12-22(13-15-23)17(3)4/h16,18H,3,8-15H2,1-2,4-7H3.
What are the key properties of (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone?
(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.55 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 130230324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).